# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90660375
_cell_length_b   8.90157323
_cell_length_c   46.36511289
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al72 Ni72'
_cell_volume   3657.52934327
_cell_formula_units_Z   72
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.885823  0.220003  0.278103  1
  Al  Al2  1  0.219156  0.886670  0.278103  1
  Al  Al3  1  0.184686  0.185590  0.296042  1
  Al  Al4  1  0.552489  0.553337  0.278103  1
  Al  Al5  1  0.518020  0.852257  0.296042  1
  Al  Al6  1  0.483182  0.150717  0.315599  1
  Al  Al7  1  0.851353  0.518923  0.296042  1
  Al  Al8  1  0.816515  0.817384  0.315599  1
  Al  Al9  1  0.149848  0.484050  0.315599  1
  Al  Al10  1  0.788668  0.122822  0.335753  1
  Al  Al11  1  0.122002  0.789489  0.335753  1
  Al  Al12  1  0.090561  0.091363  0.353738  1
  Al  Al13  1  0.455335  0.456155  0.335753  1
  Al  Al14  1  0.423894  0.758030  0.353738  1
  Al  Al15  1  0.393012  0.060456  0.371967  1
  Al  Al16  1  0.757228  0.424696  0.353738  1
  Al  Al17  1  0.726345  0.727123  0.371967  1
  Al  Al18  1  0.059679  0.393790  0.371967  1
  Al  Al19  1  0.694841  0.028919  0.390404  1
  Al  Al20  1  0.028175  0.695586  0.390404  1
  Al  Al21  1  0.997383  0.998098  0.409115  1
  Al  Al22  1  0.361508  0.362253  0.390404  1
  Al  Al23  1  0.330717  0.664765  0.409115  1
  Al  Al24  1  0.300266  0.967623  0.427810  1
  Al  Al25  1  0.664050  0.331432  0.409115  1
  Al  Al26  1  0.633599  0.634290  0.427810  1
  Al  Al27  1  0.966933  0.300957  0.427810  1
  Al  Al28  1  0.602643  0.936640  0.446267  1
  Al  Al29  1  0.935976  0.603306  0.446267  1
  Al  Al30  1  0.904950  0.905586  0.464776  1
  Al  Al31  1  0.269310  0.269973  0.446267  1
  Al  Al32  1  0.238284  0.572252  0.464776  1
  Al  Al33  1  0.207280  0.874554  0.483318  1
  Al  Al34  1  0.571617  0.238919  0.464776  1
  Al  Al35  1  0.540613  0.541221  0.483318  1
  Al  Al36  1  0.873946  0.207888  0.483318  1
  Al  Al37  1  0.509803  0.843717  0.501896  1
  Al  Al38  1  0.843136  0.510383  0.501896  1
  Al  Al39  1  0.812360  0.812914  0.520481  1
  Al  Al40  1  0.176470  0.177050  0.501896  1
  Al  Al41  1  0.145693  0.479580  0.520481  1
  Al  Al42  1  0.114777  0.781970  0.539071  1
  Al  Al43  1  0.479026  0.146247  0.520481  1
  Al  Al44  1  0.448110  0.448636  0.539071  1
  Al  Al45  1  0.781443  0.115303  0.539071  1
  Al  Al46  1  0.417054  0.750883  0.557600  1
  Al  Al47  1  0.750388  0.417550  0.557600  1
  Al  Al48  1  0.719212  0.719684  0.575941  1
  Al  Al49  1  0.083721  0.084216  0.557600  1
  Al  Al50  1  0.052546  0.386351  0.575941  1
  Al  Al51  1  0.022258  0.689374  0.594645  1
  Al  Al52  1  0.385879  0.053017  0.575941  1
  Al  Al53  1  0.355591  0.356040  0.594645  1
  Al  Al54  1  0.688925  0.022707  0.594645  1
  Al  Al55  1  0.325019  0.658762  0.613375  1
  Al  Al56  1  0.658352  0.325428  0.613375  1
  Al  Al57  1  0.627101  0.627490  0.632040  1
  Al  Al58  1  0.991686  0.992095  0.613375  1
  Al  Al59  1  0.960434  0.294156  0.632040  1
  Al  Al60  1  0.929087  0.596118  0.650208  1
  Al  Al61  1  0.293768  0.960823  0.632040  1
  Al  Al62  1  0.262420  0.262784  0.650208  1
  Al  Al63  1  0.595754  0.929451  0.650208  1
  Al  Al64  1  0.230915  0.564558  0.667324  1
  Al  Al65  1  0.564249  0.231225  0.667324  1
  Al  Al66  1  0.536597  0.536911  0.688257  1
  Al  Al67  1  0.897582  0.897892  0.667324  1
  Al  Al68  1  0.869930  0.203577  0.688257  1
  Al  Al69  1  0.836464  0.503469  0.708133  1
  Al  Al70  1  0.203264  0.870244  0.688257  1
  Al  Al71  1  0.169797  0.170135  0.708133  1
  Al  Al72  1  0.503130  0.836802  0.708133  1
  Ni  Ni73  1  0.969077  0.303259  0.326171  1
  Ni  Ni74  1  0.302411  0.969926  0.326171  1
  Ni  Ni75  1  0.371954  0.372856  0.289577  1
  Ni  Ni76  1  0.635744  0.636592  0.326171  1
  Ni  Ni77  1  0.705287  0.039522  0.289577  1
  Ni  Ni78  1  0.666602  0.334123  0.307614  1
  Ni  Ni79  1  0.038621  0.706189  0.289577  1
  Ni  Ni80  1  0.999935  1.000789  0.307614  1
  Ni  Ni81  1  0.333268  0.667456  0.307614  1
  Ni  Ni82  1  0.877718  0.211806  0.381633  1
  Ni  Ni83  1  0.211051  0.878473  0.381633  1
  Ni  Ni84  1  0.271618  0.272441  0.343817  1
  Ni  Ni85  1  0.544385  0.545140  0.381633  1
  Ni  Ni86  1  0.604952  0.939108  0.343817  1
  Ni  Ni87  1  0.574069  0.241519  0.362599  1
  Ni  Ni88  1  0.938285  0.605775  0.343817  1
  Ni  Ni89  1  0.907403  0.908185  0.362599  1
  Ni  Ni90  1  0.240736  0.574852  0.362599  1
  Ni  Ni91  1  0.784576  0.118585  0.436881  1
  Ni  Ni92  1  0.117910  0.785252  0.436881  1
  Ni  Ni93  1  0.179729  0.180464  0.399980  1
  Ni  Ni94  1  0.451243  0.451919  0.436881  1
  Ni  Ni95  1  0.513063  0.847131  0.399980  1
  Ni  Ni96  1  0.482173  0.149544  0.418365  1
  Ni  Ni97  1  0.846396  0.513797  0.399980  1
  Ni  Ni98  1  0.815507  0.816211  0.418365  1
  Ni  Ni99  1  0.148840  0.482878  0.418365  1
  Ni  Ni100  1  0.691957  0.025885  0.492659  1
  Ni  Ni101  1  0.025291  0.692552  0.492659  1
  Ni  Ni102  1  0.087055  0.087704  0.455524  1
  Ni  Ni103  1  0.358624  0.359218  0.492659  1
  Ni  Ni104  1  0.420388  0.754370  0.455524  1
  Ni  Ni105  1  0.389563  0.056851  0.474126  1
  Ni  Ni106  1  0.753721  0.421037  0.455524  1
  Ni  Ni107  1  0.722896  0.723517  0.474126  1
  Ni  Ni108  1  0.056229  0.390184  0.474126  1
  Ni  Ni109  1  0.599265  0.933111  0.548247  1
  Ni  Ni110  1  0.932598  0.599778  0.548247  1
  Ni  Ni111  1  0.994394  0.994961  0.511187  1
  Ni  Ni112  1  0.265931  0.266444  0.548247  1
  Ni  Ni113  1  0.327728  0.661628  0.511187  1
  Ni  Ni114  1  0.296718  0.963923  0.529667  1
  Ni  Ni115  1  0.661061  0.328294  0.511187  1
  Ni  Ni116  1  0.630051  0.630589  0.529667  1
  Ni  Ni117  1  0.963384  0.297256  0.529667  1
  Ni  Ni118  1  0.506768  0.840530  0.603932  1
  Ni  Ni119  1  0.840101  0.507196  0.603932  1
  Ni  Ni120  1  0.901705  0.902192  0.566918  1
  Ni  Ni121  1  0.173435  0.173863  0.603932  1
  Ni  Ni122  1  0.235039  0.568859  0.566918  1
  Ni  Ni123  1  0.204252  0.871371  0.585530  1
  Ni  Ni124  1  0.568372  0.235526  0.566918  1
  Ni  Ni125  1  0.537585  0.538037  0.585530  1
  Ni  Ni126  1  0.870918  0.204704  0.585530  1
  Ni  Ni127  1  0.414575  0.748260  0.660067  1
  Ni  Ni128  1  0.747909  0.414926  0.660067  1
  Ni  Ni129  1  0.808373  0.808784  0.621924  1
  Ni  Ni130  1  0.081242  0.081593  0.660067  1
  Ni  Ni131  1  0.141706  0.475450  0.621924  1
  Ni  Ni132  1  0.112859  0.779887  0.640967  1
  Ni  Ni133  1  0.475040  0.142117  0.621924  1
  Ni  Ni134  1  0.446192  0.446553  0.640967  1
  Ni  Ni135  1  0.779525  0.113220  0.640967  1
  Ni  Ni136  1  0.307873  0.641483  0.713684  1
  Ni  Ni137  1  0.641206  0.308149  0.713684  1
  Ni  Ni138  1  0.718384  0.718720  0.678389  1
  Ni  Ni139  1  0.974539  0.974816  0.713684  1
  Ni  Ni140  1  0.051718  0.385386  0.678389  1
  Ni  Ni141  1  0.019392  0.686296  0.696291  1
  Ni  Ni142  1  0.385051  0.052053  0.678389  1
  Ni  Ni143  1  0.352726  0.352963  0.696291  1
  Ni  Ni144  1  0.686059  0.019629  0.696291  1
